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howto:cp2k [2016/03/30 11:55]
kgovender
howto:cp2k [2017/01/30 08:58] (current)
kgovender
Line 1: Line 1:
 ====CP2K job submission==== ====CP2K job submission====
-Execute **qcp2k_2.6.2** on login node and follow the prompts.+Execute **qcp2k_2.6.2** or **qcp2k_3.0** on login node and follow the prompts.
 This script handles PBS setup and submission. This script handles PBS setup and submission.
 Sets up the mpi environment variables allowing you to run over multiple processors and nodes. Sets up the mpi environment variables allowing you to run over multiple processors and nodes.
/var/www/wiki/data/pages/howto/cp2k.txt · Last modified: 2017/01/30 08:58 by kgovender